2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol

C23H40O2 — CID 118325776

IUPAC2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
SMILESCCCCCCCCCCCCC(C)c1ccc(COCCO)cc1
InChIInChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-21(2)23-16-14-22(15-17-23)20-25-19-18-24/h14-17,21,24H,3-13,18-20H2,1-2H3
InChIKeyABSAOLRXBBBRHS-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.61
Rot. Bonds16

About 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol

2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol (PubChem CID 118325776) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol.

Molecular Properties

Compound Name2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
PubChem CID118325776
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol
SMILESCCCCCCCCCCCCC(C)c1ccc(COCCO)cc1
InChIInChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-21(2)23-16-14-22(15-17-23)20-25-19-18-24/h14-17,21,24H,3-13,18-20H2,1-2H3
InChIKeyABSAOLRXBBBRHS-UHFFFAOYSA-N
XLogP6.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[(4-undecan-2-ylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 118325882
1-dodecan-2-yl-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]benzene
CID 118325862
4-octan-2-ylphenol;4-octylphenol
CID 157081049
2-[2-[2-[2-[2-[2-[2-[(4-hexadecoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 24748856
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646
2-[4-(pentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105350017
4-(hexoxymethyl)phenol
CID 14816980
4-docosan-2-ylaniline
CID 22757336
4-hexan-2-ylphenol
CID 12579179
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
1-(methoxymethoxymethyl)-4-pentan-2-ylbenzene
CID 131994370
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol?
The IUPAC name of 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol (CID 118325776) is 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol.
What is the SMILES notation for 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol?
The canonical SMILES for 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol is CCCCCCCCCCCCC(C)c1ccc(COCCO)cc1.
What is the InChIKey of 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol?
The InChIKey is ABSAOLRXBBBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-21(2)23-16-14-22(15-17-23)20-25-19-18-24/h14-17,21,24H,3-13,18-20H2,1-2H3.
What are the key properties of 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol?
2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol has a molecular weight of 348.57 g/mol, XLogP of 6.61, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tetradecan-2-ylphenyl)methoxy]ethanol is sourced from PubChem (CID 118325776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).